| Identification | More | [Name]
3,5,5-Trimethylcyclohexane-1,2-dione | [CAS]
57696-89-6 | [Synonyms]
3,5,5-TRIMETHYL-1,2-CYCLOHEXANEDIONE
FEMA 3459
2-Cyclohexanedione,3,5,5-trimethyl-1
3,5,5-trimethyl-2-cyclohexanedione
Tobacco Ketone
1,2-Cyclohexanedione, 3,5,5-trimethyl-
1,2-Cyclohexandion, 3,5,5-trimethyl-
3,5,5-Trimethylcyclohexane-1,2-dione
3,5,5-TRIMETHYL-1,2-CYCLOHEXANEDIONE FEMA NO.3459 | [EINECS(EC#)]
640-099-3 | [Molecular Formula]
C9H14O2 | [MDL Number]
MFCD02684972 | [Molecular Weight]
154.21 | [MOL File]
57696-89-6.mol |
| Chemical Properties | Back Directory | [Melting point ]
89-92℃ | [Boiling point ]
214.6±9.0 °C(Predicted) | [density ]
0.976±0.06 g/cm3(Predicted) | [FEMA ]
3459 | [Fp ]
>100°(212°F) | [storage temp. ]
Sealed in dry,Room Temperature | [InChI]
InChI=1S/C9H14O2/c1-6-4-9(2,3)5-7(10)8(6)11/h6H,4-5H2,1-3H3 | [InChIKey]
WEUZZYGESXCTCU-UHFFFAOYSA-N | [SMILES]
C1(=O)CC(C)(C)CC(C)C1=O | [LogP]
1.630 | [CAS DataBase Reference]
57696-89-6(CAS DataBase Reference) | [EPA Substance Registry System]
57696-89-6(EPA Substance) |
| Hazard Information | Back Directory | [Uses]
3,5,5-Trimethyl-1,2-cyclohexanedione is used in preparation of Tetrahydro-carbazolone analogs as hepatitis C inhibitors. | [Definition]
ChEBI: 3,5,5-Trimethyl-1,2-cyclohexanedione is a cyclic ketone. |
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